CAS 6429-04-5

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Also known as: 6429-04-5, Tetrahydropapaverine hydrochloride, Tetrahydropapaverine hcl, Tetrahydroalkali hydrochloride, Dl-norlaudanosine hydrochloride, Norlaudanosine hydrochloride

Molecular Formula

C₂₀H₂₆ClNO₄

Molecular Weight

379.9 g/mol

InChI Key

VMPLLPIDRGXFTQ-UHFFFAOYSA-N

1 2D Structure

CAS 6429-04-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

2.1.2 InChI

InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H

2.1.3 InChI Key

VMPLLPIDRGXFTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tetrahydropapaverine

2. Tetrahydropapaverine Hydrochloride

2.2.2 Depositor-Supplied Synonyms

1. 6429-04-5

2. Tetrahydropapaverine Hydrochloride

3. Tetrahydropapaverine Hcl

4. Tetrahydroalkali Hydrochloride

5. Dl-norlaudanosine Hydrochloride

6. Norlaudanosine Hydrochloride

7. Schembl6382627

8. Tetrahydropapaverine Hydrochlorid

9. Tetrahydropapaverine (hydrochloride)

10. Mfcd00035267

11. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

12. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

13. 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hcl

14. Pubchem14134

15. Mfcd03788189

16. Tetrahydropapaverinehydrochloride

17. Ctk6j7467

18. Norlaudanosine Hcl

19. St50409679

20. Molport-001-770-233

21. Bcp22904

22. Bcp22905

23. Hy-n0137

24. Ccg-49784

25. Nsc118072

26. (r)-tetrahydropapaverine Hydrochloride

27. Akos015900355

28. Ac-8778

29. Ds-2672

30. H29t045

31. Nsc-118072

32. 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride

33. Ak109367

34. Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, Hydrochloride (1:1)

35. Sy037149

36. Sy258049

37. Db-016699

38. Db-050126

39. Cs-0007858

40. N0918

41. Papaverine,2,3,4-tetrahydro-, Hydrochloride

42. Sw219265-1

43. A806141

44. Q-101021

45. Sr-01000639215-1

46. (r)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline

47. 1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline Hydrochloride

48. 1-(4,5-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-hydrochloride

49. 1-(4,5-dimethoxybenzyl)6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-hydrochloride

2.3 Create Date

2007-08-14

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNO₄
Molecular Weight	379.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	379.1550360 g/mol
Monoisotopic Mass	379.1550360 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2